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ROTATIONAL CONSTANTS FOR M-METHYLBENZALDEHYDE: A STUDY IN LOW BARRIER TORSIONAL SPLITTING

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/46428

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Title: ROTATIONAL CONSTANTS FOR M-METHYLBENZALDEHYDE: A STUDY IN LOW BARRIER TORSIONAL SPLITTING
Creators: Shirar, Amanda J.; Hotopp, Kelly M.; Wilcox, David S.; Dian, Brian C.
Issue Date: 2010
Abstract: We present the ground state spectrum for m-methylbenzaldehyde taken with a chirped-pulse Fourier transform microwave (CP-FTMW) spectrometer. The presence of a methyl rotor on the molecule introduces a threefold internal rotation barrier. Tunneling through this barrier leads to splitting of the torsional energy level degeneracy into A and E states. Theory predicts a low torsional barrier for both the \textit{cis} and \textit{trans} conformers, which leads to large splitting in the frequency spectrum. The A states are simulated using the rigid rotor approximation and subsequent distortion terms. In order to predict the E states, a V$_{3}$ parameter must be determined that correlates to the torsional barrier. All four possible species have been fit and parameters will be presented, including rotational constants, distortion terms and V$_{3}$ values.
URI: http://hdl.handle.net/1811/46428
Other Identifiers: 2010-RH-15
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